N-isoquinolin-5-yl-4-[(E)-4,4,4-tris(fluoranyl)but-2-en-2-yl]benzamide

Systemtic Name: N-isoquinolin-5-yl-4-[(E)-4,4,4-tris(fluoranyl)but-2-en-2-yl]benzamide Openeye Name: N-(5-isoquinolyl)-4-[(E)-3,3,3-trifluoro-1-methyl-prop-1-enyl]benzamide CAS Name: N-(5-isoquinolinyl)-4-[(E)-4,4,4-trifluorobut-2-en-2-yl]benzamide IUPAC Name: N-isoquinolin-5-yl-4-[(E)-4,4,4-trifluorobut-2-en-2-yl]benzamide Traditional Name: N-(5-isoquinolyl)-4-[(E)-3,3,3-trifluoro-1-methyl-prop-1-enyl]benzamide Formula: C20H15F3N2O MolecularWeight: 356.34111

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(F)(F)F)C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C/C(=C\C(F)(F)F)/C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H15F3N2O/c1-13(11-20(21,22)23)14-5-7-15(8-6-14)19(26)25-18-4-2-3-16-12-24-10-9-17(16)18/h2-12H,1H3,(H,25,26)/b13-11+